SCHEMBL4040620

SCHEMBL4040620

CCC(C)C(O)C(=O)N1CC(=O)C2C1CCN2C(=O)[CH]CC(C)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.34
CTSK P43235 2/20 0.34
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
FAP Q12884 2/20 0.31
DPP8 Q6V1X1 2/20 0.31
DPP9 Q86TI2 2/20 0.31
DPP7 Q9UHL4 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4041125 0.91 CTSK (0.35) CTSK
SCHEMBL4045130 0.90 DPP4 (0.46) DPP4FAPDPP8DPP9DPP7
SCHEMBL4052756 0.88 DPP4 (0.38) DPP4CTSKFAPDPP8DPP9
SCHEMBL4052736 0.87 CTSK (0.34) DPP4CTSKFAPDPP8DPP9
SCHEMBL4045397 0.86 CTSK (0.34) CTSK
SCHEMBL4044235 0.86 CTSK (0.35) DPP4CTSKDPP8DPP9
SCHEMBL4043687 0.85 CTSK (0.40) CTSK
SCHEMBL4047580 0.85 CTSK (0.38) CTSK
SCHEMBL4045288 0.85 DPP4 (0.41) DPP4CTSKFAPDPP8DPP9
SCHEMBL4050899 0.84 DPP4 (0.40) DPP4CTSKFAPDPP8DPP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010543-A1 DIBENZYLIDENE SORBITOL (DBS)-BASED COMPOUNDS, COMPOSITIONS AND METHODS FOR USING SUCH COMPOUNDS Milliken&Company (US) 2009-01-07 EP disclosed
WO-2007127067-A1 DIBENZYLIDENE SORBITOL (DBS)-BASED COMPOUNDS, COMPOSITIONS AND METHODS FOR USING SUCH COMPOUNDS MILLIKEN & COMPANY (US) 2007-11-08 WO disclosed